(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one

C27H33NO3 — CID 146769874

IUPAC(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one
SMILESO=C(CC[C@H](O)CCC1Cc2ccccc2C1)c1ccc(CC(=O)N2CCCC2)cc1
InChIInChI=1S/C27H33NO3/c29-25(12-9-21-17-23-5-1-2-6-24(23)18-21)13-14-26(30)22-10-7-20(8-11-22)19-27(31)28-15-3-4-16-28/h1-2,5-8,10-11,21,25,29H,3-4,9,12-19H2/t25-/m1/s1
InChIKeyRRKXBRRHYPOVTC-RUZDIDTESA-N
MW419.57 g/mol
LogP4.37
Rot. Bonds9

About (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one

(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one (PubChem CID 146769874) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one.

Molecular Properties

Compound Name(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one
PubChem CID146769874
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one
SMILESO=C(CC[C@H](O)CCC1Cc2ccccc2C1)c1ccc(CC(=O)N2CCCC2)cc1
InChIInChI=1S/C27H33NO3/c29-25(12-9-21-17-23-5-1-2-6-24(23)18-21)13-14-26(30)22-10-7-20(8-11-22)19-27(31)28-15-3-4-16-28/h1-2,5-8,10-11,21,25,29H,3-4,9,12-19H2/t25-/m1/s1
InChIKeyRRKXBRRHYPOVTC-RUZDIDTESA-N
XLogP4.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 160878443
(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]hexan-1-one
CID 159255305
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
CID 158232164
1-(4-methylphenyl)-4-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 108545552
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-pyrrolidin-1-yl-2-(4-sulfanylphenyl)ethanone
CID 107019336
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 97244690
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
4-[2-(azocan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77000979

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one?
The IUPAC name of (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one (CID 146769874) is (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one.
What is the SMILES notation for (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one?
The canonical SMILES for (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one is O=C(CC[C@H](O)CCC1Cc2ccccc2C1)c1ccc(CC(=O)N2CCCC2)cc1.
What is the InChIKey of (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one?
The InChIKey is RRKXBRRHYPOVTC-RUZDIDTESA-N. The full InChI is InChI=1S/C27H33NO3/c29-25(12-9-21-17-23-5-1-2-6-24(23)18-21)13-14-26(30)22-10-7-20(8-11-22)19-27(31)28-15-3-4-16-28/h1-2,5-8,10-11,21,25,29H,3-4,9,12-19H2/t25-/m1/s1.
What are the key properties of (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one?
(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one has a molecular weight of 419.57 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one is sourced from PubChem (CID 146769874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).